UCSF

ZINC33758291

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.59 14.72 -18.66 1 4 0 51 408.567 9
Hi High (pH 8-9.5) 7.11 13.8 -52.7 0 4 -1 58 407.559 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )